CID 18723215

4,4-dimethyl-1-(prop-2-yn-1-yl)piperidine

Structural Information

Molecular Formula
C10H17N
SMILES
CC1(CCN(CC1)CC#C)C
InChI
InChI=1S/C10H17N/c1-4-7-11-8-5-10(2,3)6-9-11/h1H,5-9H2,2-3H3
InChIKey
VTTSYCSMXOZFGP-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-prop-2-ynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

151.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.14338 131.3
[M+Na]+ 174.12532 140.2
[M-H]- 150.12882 132.1
[M+NH4]+ 169.16992 151.0
[M+K]+ 190.09926 136.4
[M+H-H2O]+ 134.13336 120.1
[M+HCOO]- 196.13430 145.0
[M+CH3COO]- 210.14995 185.8
[M+Na-2H]- 172.11077 136.2
[M]+ 151.13555 123.1
[M]- 151.13665 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe